| Specifies the maximum value of G in the reciprocal space over which perform the Ewald sum.
|
| This optional keyword expects a real. Default value: 1.0000000000000000E+00
|
REPLICA |
|
| REPLICA
| Specifies the number of replica to take into consideration for the real part of the calculation. Default is letting the qmmm module decide how many replica you really need.
| | This optional keyword expects an integer. Default value: -1
| NGRIDS |
| | NGRIDS
| Specifies the number of grid points used for the Interpolation of the G-space term
| | This optional keyword expects precisely 3 integers. Default value: 50 50 50
| | |